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Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-

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Name

Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-

EINECS N/A
CAS No. 17454-47-6 Density 1.116g/cm3
PSA 46.15000 LogP 2.66080
Solubility N/A Melting Point 116-118 °C
Formula C18H22O5 Boiling Point 486.2 °C at 760 mmHg
Molecular Weight 318.37 Flash Point 203 °C
Transport Information N/A Appearance N/A
Safety 22 Risk Codes N/A
Molecular Structure Molecular Structure of 17454-47-6 (2,3-NAPHTHO-15-CROWN-5) Hazard Symbols N/A
Synonyms

2,3-naphtho-15-crown-5;Naphtho-15-crown-5;

Article Data 3

Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro- Specification

The Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-, with CAS registry number 17454-47-6, belongs to the following product categories: (1)Chelation/Complexation Compounds; (2)Crown Ethers; (3)Synthetic Reagents. It has the systematic name of 2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13]pentaoxacyclopentadecine. When use it, do not breathe dust. And the chemical formula of this chemical is C18H22O5.

Physical properties of Naphtho[2,3-b]-1,4,7,10,13-pentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.74; (6)ACD/BCF (pH 7.4): 15.74; (7)ACD/KOC (pH 5.5): 250.28; (8)ACD/KOC (pH 7.4): 250.28; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 87.35 cm3; (15)Molar Volume: 285.2 cm3; (16)Polarizability: 34.63×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 72.32 kJ/mol; (21)Boiling Point: 486.2 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c3c(OCCOCCOCCOCC1)cc2ccccc2c3
(2)InChI: InChI=1/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
(3)InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2
(5)Std. InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYSA-N

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